| SpectraBase Compound ID | 9BQML4kaNBM |
|---|---|
| InChI | InChI=1S/C20H26N2O9S/c1-4-29-20-21-18(26)12(3)9-22(20)19-17(25)16(24)15(23)14(31-19)10-30-32(27,28)13-7-5-11(2)6-8-13/h5-9,14-17,19,23-25H,4,10H2,1-3H3/t14-,15-,16+,17-,19-/m0/s1 |
| InChIKey | GIWMIQHXLKLSQF-LVEJAMMSSA-N |
| Mol Weight | 470.49 g/mol |
| Molecular Formula | C20H26N2O9S |
| Exact Mass | 470.135902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9pDt78qXbX3 |
|---|---|
| Name | 1-(6-O-PARA-TOLYL-SULFONYL-BETA-D-GLUCOPYRANOSYL)-2-ETHOXY-5-METHYL-PYRIMIDIN-4-(1H)-ONE |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H26N2O9S |
| InChI | InChI=1S/C20H26N2O9S/c1-4-29-20-21-18(26)12(3)9-22(20)19-17(25)16(24)15(23)14(31-19)10-30-32(27,28)13-7-5-11(2)6-8-13/h5-9,14-17,19,23-25H,4,10H2,1-3H3/t14-,15-,16+,17-,19-/m0/s1 |
| InChIKey | GIWMIQHXLKLSQF-LVEJAMMSSA-N |
| Literature Reference Author | A.A.H.ABDEL-RAHMAN |
| Literature Reference Citation | MH.CHEM.,134,929(2003) |
| Literature Reference DOI | 10.1007/s00706-002-0575-7 |
| Molecular Weight | 470.494 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWKP5291 |